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DocumentationIdentifier: MM442730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442730 |
| SMILES |
N#CCCC(O)C(=O)O
|
| InChIKey |
UKXWUSDTTHLVST-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM432608
Similarity: 0.7109
Similarity to MM432608
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM432614
Similarity: 0.6691
Similarity to MM432614
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8018 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-hydroxy-4-methylpentanoic Acid
Similarity: 0.6036
Similarity to 2-hydroxy-4-methylpentanoic Acid
| Tanimoto metric | 0.6036 |
|---|---|
| Cosine metric | 0.753 |
| Dice metric | 0.7528 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
